1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine

C19H29FN2O — CID 56914097

IUPAC1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine
SMILESCOc1ccc(F)c(CN2CCC(C3CCN(C)CC3)CC2)c1
InChIInChI=1S/C19H29FN2O/c1-21-9-5-15(6-10-21)16-7-11-22(12-8-16)14-17-13-18(23-2)3-4-19(17)20/h3-4,13,15-16H,5-12,14H2,1-2H3
InChIKeyRTJBKHDNQNNAQU-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.39
Rot. Bonds4

About 1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine

1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine (PubChem CID 56914097) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine
PubChem CID56914097
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine
SMILESCOc1ccc(F)c(CN2CCC(C3CCN(C)CC3)CC2)c1
InChIInChI=1S/C19H29FN2O/c1-21-9-5-15(6-10-21)16-7-11-22(12-8-16)14-17-13-18(23-2)3-4-19(17)20/h3-4,13,15-16H,5-12,14H2,1-2H3
InChIKeyRTJBKHDNQNNAQU-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
(3aS,6aR)-2-[(2-fluoro-5-methoxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138807884
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
(3S,5S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 56866016
4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
2-[(2-bromo-5-methoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 65326747
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030
(4aS,8aR)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(3-hydroxypropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56902771
N-[[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 131923524
1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one
CID 167946863
(2R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenylazetidine
CID 99928005
3-[(3R,4S)-4-(dimethylamino)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propan-1-ol
CID 72871275

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine?
The IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine (CID 56914097) is 1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine.
What is the SMILES notation for 1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine?
The canonical SMILES for 1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine is COc1ccc(F)c(CN2CCC(C3CCN(C)CC3)CC2)c1.
What is the InChIKey of 1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine?
The InChIKey is RTJBKHDNQNNAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-21-9-5-15(6-10-21)16-7-11-22(12-8-16)14-17-13-18(23-2)3-4-19(17)20/h3-4,13,15-16H,5-12,14H2,1-2H3.
What are the key properties of 1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine?
1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine has a molecular weight of 320.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine is sourced from PubChem (CID 56914097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).